N-[3-methyl-1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[2-[4-(m-tolyl)piperazin-1-yl]ethylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[2-[4-(3-methylphenyl)-1-piperazinyl]ethylamino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[2-[4-(m-tolyl)piperazino]ethylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C29H44N4O2 MolecularWeight: 480.68526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H44N4O2/c1-20(2)26(31-28(35)29-17-22-14-23(18-29)16-24(15-22)19-29)27(34)30-7-8-32-9-11-33(12-10-32)25-6-4-5-21(3)13-25/h4-6,13,20,22-24,26H,7-12,14-19H2,1-3H3,(H,30,34)(H,31,35)